(4-nitrophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (4-nitrophenyl)methyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (4-nitrobenzyl) ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6S/c24-21(29-16-18-4-9-19(10-5-18)23(25)26)13-8-17-6-11-20(12-7-17)30(27,28)22-14-2-1-3-15-22/h4-7,9-12H,1-3,8,13-16H2